4-(5-tert-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-5-fluoranyl-2-prop-2-enoxy-benzenecarbonitrile

Systemtic Name: 4-(5-tert-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-5-fluoranyl-2-prop-2-enoxy-benzenecarbonitrile Openeye Name: 2-allyloxy-4-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-5-fluoro-benzonitrile CAS Name: 4-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-5-fluoro-2-prop-2-enoxybenzonitrile IUPAC Name: 4-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-5-fluoro-2-prop-2-enoxybenzonitrile Traditional Name: 2-allyloxy-4-(5-tert-butyl-3-keto-1H-1,2,4-triazol-2-yl)-5-fluoro-benzonitrile Formula: C16H17FN4O2 MolecularWeight: 316.330183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=C(C(=C2)OCC=C)C#N)F

Isomeric SMILES

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=C(C(=C2)OCC=C)C#N)F

InChI

InChI=1S/C16H17FN4O2/c1-5-6-23-13-8-12(11(17)7-10(13)9-18)21-15(22)19-14(20-21)16(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,19,20,22)